5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid

C18H24N2O4 — CID 4949663

IUPAC5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O4/c21-16(11-6-12-17(22)23)20-15-10-5-4-9-14(15)18(24)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyRPRMVGVALQCERS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.94
Rot. Bonds7

About 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid

5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid (PubChem CID 4949663) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
PubChem CID4949663
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O4/c21-16(11-6-12-17(22)23)20-15-10-5-4-9-14(15)18(24)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyRPRMVGVALQCERS-UHFFFAOYSA-N
XLogP2.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25137451
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CID 100515269
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
CID 100606317

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid (CID 4949663) is 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is RPRMVGVALQCERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(11-6-12-17(22)23)20-15-10-5-4-9-14(15)18(24)19-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid?
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 4949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).